DBI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.58Å | |
| P | O2P | sing | 1.61Å | 1.58Å | |
| P | O3' | sing | 1.61Å | 1.59Å | |
| P | O3P | sing | 1.61Å | 1.59Å | |
| O2P | HO2 | sing | 0.97Å | 0.95Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| O5' | HO5 | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.09Å | |
| C5' | H5'2 | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.43Å | 1.42Å | |
| C1' | N1 | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N1 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C11 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | H111 | sing | 1.09Å | 1.09Å | |
| C11 | H112 | sing | 1.09Å | 1.09Å | |
| C11 | H113 | sing | 1.09Å | 1.09Å | |
| C10 | C5 | sing | 1.51Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.09Å | |
| C10 | H102 | sing | 1.09Å | 1.09Å | |
| C10 | H103 | sing | 1.09Å | 1.09Å | |
| C5 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.07Å | |
| C9 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.30Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| O2' | HO21 | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3P | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 108.7° | 109.5° |
| O1P | P | O3' | 110.9° | 109.5° |
| O1P | P | O3P | 109.0° | 109.5° |
| O2P | P | O3' | 109.4° | 109.5° |
| O2P | P | O3P | 108.5° | 109.4° |
| P | O2P | HO2 | 108.7° | 106.8° |
| O3' | P | O3P | 110.2° | 109.4° |
| P | O3' | C3' | 114.9° | 106.8° |
| P | O3P | HO3 | 109.0° | 106.9° |
| O3' | C3' | C4' | 109.8° | 111.2° |
| O3' | C3' | C2' | 115.6° | 111.2° |
| O3' | C3' | H3' | 109.2° | 111.0° |
| C5' | O5' | HO5 | 111.8° | 106.8° |
| O5' | C5' | C4' | 111.8° | 109.5° |
| O5' | C5' | H5'1 | 108.1° | 109.5° |
| O5' | C5' | H5'2 | 107.1° | 109.5° |
| C4' | C5' | H5'1 | 111.0° | 109.4° |
| C4' | C5' | H5'2 | 110.2° | 109.5° |
| C5' | C4' | O4' | 110.6° | 110.3° |
| C5' | C4' | C3' | 114.2° | 110.4° |
| C5' | C4' | H4' | 108.4° | 110.2° |
| H5'1 | C5' | H5'2 | 108.5° | 109.5° |
| O4' | C4' | C3' | 106.4° | 105.2° |
| O4' | C4' | H4' | 107.1° | 110.3° |
| C4' | O4' | C1' | 108.1° | 109.9° |
| C3' | C4' | H4' | 110.0° | 110.4° |
| C4' | C3' | C2' | 104.3° | 100.9° |
| C4' | C3' | H3' | 109.0° | 111.1° |
| O4' | C1' | N1 | 110.3° | 109.8° |
| O4' | C1' | C2' | 106.2° | 107.7° |
| O4' | C1' | H1' | 106.9° | 109.8° |
| N1 | C1' | C2' | 115.8° | 109.9° |
| N1 | C1' | H1' | 108.7° | 109.8° |
| C1' | N1 | C8 | 127.1° | 126.4° |
| C1' | N1 | C2 | 126.9° | 126.3° |
| C2' | C1' | H1' | 108.6° | 109.8° |
| C1' | C2' | O2' | 113.9° | 111.0° |
| C1' | C2' | C3' | 104.6° | 102.2° |
| C1' | C2' | H2' | 109.1° | 111.0° |
| C8 | N1 | C2 | 105.8° | 107.3° |
| N1 | C8 | C7 | 133.2° | 134.1° |
| N1 | C8 | C9 | 107.7° | 106.1° |
| N1 | C2 | N3 | 113.1° | 110.1° |
| N1 | C2 | H2 | 124.3° | 125.0° |
| C7 | C8 | C9 | 119.1° | 119.8° |
| C8 | C7 | C6 | 121.4° | 119.7° |
| C8 | C7 | H7 | 118.2° | 120.2° |
| C8 | C9 | C4 | 119.6° | 119.5° |
| C8 | C9 | N3 | 107.1° | 106.9° |
| C6 | C7 | H7 | 120.4° | 120.1° |
| C7 | C6 | C11 | 119.3° | 119.8° |
| C7 | C6 | C5 | 119.5° | 120.4° |
| C11 | C6 | C5 | 121.2° | 119.7° |
| C6 | C11 | H111 | 111.7° | 109.4° |
| C6 | C11 | H112 | 112.1° | 109.5° |
| C6 | C11 | H113 | 107.3° | 109.4° |
| C6 | C5 | C10 | 122.4° | 119.7° |
| C6 | C5 | C4 | 118.4° | 120.6° |
| H111 | C11 | H112 | 108.5° | 109.5° |
| H111 | C11 | H113 | 108.5° | 109.5° |
| H112 | C11 | H113 | 108.7° | 109.5° |
| C5 | C10 | H101 | 110.9° | 109.5° |
| C5 | C10 | H102 | 112.9° | 109.5° |
| C5 | C10 | H103 | 111.4° | 109.4° |
| C10 | C5 | C4 | 119.2° | 119.7° |
| H101 | C10 | H102 | 108.3° | 109.6° |
| H101 | C10 | H103 | 104.8° | 109.4° |
| H102 | C10 | H103 | 108.2° | 109.5° |
| C5 | C4 | C9 | 121.8° | 119.9° |
| C5 | C4 | H4 | 118.2° | 120.0° |
| C9 | C4 | H4 | 120.0° | 120.1° |
| C4 | C9 | N3 | 133.3° | 133.7° |
| C9 | N3 | C2 | 106.3° | 109.7° |
| N3 | C2 | H2 | 122.6° | 124.9° |
| O2' | C2' | C3' | 114.7° | 110.8° |
| O2' | C2' | H2' | 106.3° | 110.7° |
| C2' | O2' | HO21 | 109.9° | 106.8° |
| C3' | C2' | H2' | 108.1° | 110.9° |
| C2' | C3' | H3' | 108.6° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3' | 121.2° | 120.0° |
| O1P | P | O2P | O3P | 118.5° | 120.0° |
| O1P | P | O3' | O3P | 120.8° | 120.1° |
| O1P | P | O2P | HO2 | 180.0° | 60.0° |
| O1P | P | O3' | C3' | 46.8° | 60.0° |
| O1P | P | O3P | HO3 | 180.0° | 180.0° |
| O2P | P | O3' | O3P | 119.3° | 119.9° |
| O2P | P | O3' | C3' | 73.0° | 180.0° |
| O2P | P | O3P | HO3 | 61.8° | 60.0° |
| O3' | P | O2P | HO2 | 58.8° | 180.0° |
| P | O3' | C3' | C4' | 152.9° | 121.5° |
| P | O3' | C3' | C2' | 89.4° | 126.9° |
| P | O3' | C3' | H3' | 33.4° | 2.8° |
| O3' | P | O3P | HO3 | 58.0° | 60.0° |
| O3P | P | O2P | HO2 | 61.6° | 60.0° |
| O3P | P | O3' | C3' | 167.7° | 60.0° |
| O3' | C3' | C4' | C5' | 91.8° | 86.6° |
| O3' | C3' | C4' | O4' | 145.9° | 154.5° |
| O3' | C3' | C4' | C2' | 124.5° | 118.1° |
| O3' | C3' | C4' | H3' | 119.6° | 124.2° |
| O3' | C3' | C4' | H4' | 30.3° | 35.4° |
| O3' | C3' | C2' | C1' | 123.8° | 152.0° |
| O3' | C3' | C2' | O2' | 1.7° | 33.7° |
| O3' | C3' | C2' | H3' | 123.1° | 124.1° |
| O3' | C3' | C2' | H2' | 120.0° | 89.6° |
| O5' | C5' | C4' | H5'1 | 120.8° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 115.9° | 120.1° |
| O5' | C5' | C4' | O4' | 65.2° | 61.5° |
| O5' | C5' | C4' | C3' | 54.8° | 177.2° |
| O5' | C5' | C4' | H4' | 177.7° | 60.6° |
| HO5 | O5' | C5' | C4' | 180.0° | 180.0° |
| HO5 | O5' | C5' | H5'1 | 57.5° | 60.1° |
| HO5 | O5' | C5' | H5'2 | 59.2° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 121.2° | 120.0° |
| C5' | C4' | O4' | C3' | 124.6° | 119.0° |
| C5' | C4' | O4' | H4' | 117.9° | 122.0° |
| C5' | C4' | C3' | H4' | 122.0° | 122.1° |
| C5' | C4' | O4' | C1' | 157.7° | 143.4° |
| C5' | C4' | C3' | C2' | 143.7° | 155.3° |
| C5' | C4' | C3' | H3' | 27.8° | 37.5° |
| H5'1 | C5' | C4' | O4' | 55.6° | 178.5° |
| H5'1 | C5' | C4' | C3' | 175.6° | 62.8° |
| H5'1 | C5' | C4' | H4' | 61.5° | 59.4° |
| H5'2 | C5' | C4' | O4' | 175.8° | 58.5° |
| H5'2 | C5' | C4' | C3' | 64.2° | 57.2° |
| H5'2 | C5' | C4' | H4' | 58.7° | 179.4° |
| O4' | C4' | C3' | H4' | 115.6° | 119.0° |
| C4' | O4' | C1' | N1 | 95.3° | 117.8° |
| C4' | O4' | C1' | C2' | 30.9° | 1.8° |
| C4' | O4' | C1' | H1' | 146.7° | 121.3° |
| O4' | C4' | C3' | C2' | 21.4° | 36.4° |
| O4' | C4' | C3' | H3' | 94.5° | 81.4° |
| C3' | C4' | O4' | C1' | 33.2° | 24.5° |
| C4' | C3' | C2' | C1' | 3.1° | 34.0° |
| C4' | C3' | C2' | O2' | 122.4° | 84.3° |
| C4' | C3' | C2' | H3' | 116.2° | 117.9° |
| C4' | C3' | C2' | H2' | 119.3° | 152.4° |
| H4' | C4' | O4' | C1' | 84.4° | 94.5° |
| H4' | C4' | C3' | C2' | 94.2° | 82.6° |
| H4' | C4' | C3' | H3' | 149.9° | 159.6° |
| O4' | C1' | N1 | C2' | 120.7° | 118.3° |
| O4' | C1' | N1 | H1' | 116.8° | 120.8° |
| O4' | C1' | C2' | H1' | 114.6° | 119.5° |
| O4' | C1' | N1 | C8 | 112.8° | 151.6° |
| O4' | C1' | N1 | C2 | 72.4° | 28.5° |
| O4' | C1' | C2' | O2' | 142.1° | 97.0° |
| O4' | C1' | C2' | C3' | 16.1° | 21.2° |
| O4' | C1' | C2' | H2' | 99.4° | 139.5° |
| N1 | C1' | C2' | H1' | 122.5° | 120.9° |
| C1' | N1 | C8 | C2 | 175.7° | 179.9° |
| C1' | N1 | C8 | C7 | 4.6° | 0.1° |
| C1' | N1 | C8 | C9 | 173.8° | 179.9° |
| C1' | N1 | C2 | N3 | 174.8° | 179.9° |
| C1' | N1 | C2 | H2 | 3.5° | 0.2° |
| N1 | C1' | C2' | O2' | 19.2° | 22.6° |
| N1 | C1' | C2' | C3' | 106.7° | 140.8° |
| N1 | C1' | C2' | H2' | 137.8° | 100.9° |
| C2' | C1' | N1 | C8 | 126.5° | 90.1° |
| C2' | C1' | N1 | C2 | 48.3° | 89.8° |
| C1' | C2' | O2' | C3' | 120.4° | 112.9° |
| C1' | C2' | O2' | H2' | 120.2° | 123.7° |
| C1' | C2' | C3' | H2' | 116.2° | 118.4° |
| C1' | C2' | O2' | HO21 | 62.5° | 67.2° |
| C1' | C2' | C3' | H3' | 113.1° | 83.9° |
| H1' | C1' | N1 | C8 | 4.0° | 30.8° |
| H1' | C1' | N1 | C2 | 170.8° | 149.3° |
| H1' | C1' | C2' | O2' | 103.3° | 143.5° |
| H1' | C1' | C2' | C3' | 130.8° | 98.3° |
| H1' | C1' | C2' | H2' | 15.3° | 20.0° |
| N1 | C8 | C7 | C9 | 178.3° | 179.9° |
| N1 | C8 | C7 | C6 | 175.2° | 179.8° |
| N1 | C8 | C7 | H7 | 6.5° | 0.0° |
| N1 | C8 | C9 | C4 | 177.5° | 180.0° |
| N1 | C8 | C9 | N3 | 2.2° | 0.0° |
| C8 | N1 | C2 | N3 | 0.9° | 0.1° |
| C8 | N1 | C2 | H2 | 179.2° | 179.9° |
| C2 | N1 | C8 | C7 | 179.7° | 180.0° |
| C2 | N1 | C8 | C9 | 1.9° | 0.1° |
| N1 | C2 | N3 | C9 | 0.5° | 0.0° |
| N1 | C2 | N3 | H2 | 178.4° | 179.9° |
| C8 | C7 | C6 | H7 | 178.2° | 179.8° |
| C8 | C7 | C6 | C11 | 178.0° | 180.0° |
| C8 | C7 | C6 | C5 | 2.4° | 0.5° |
| C7 | C8 | C9 | C4 | 1.2° | 0.0° |
| C7 | C8 | C9 | N3 | 179.1° | 180.0° |
| C9 | C8 | C7 | C6 | 3.1° | 0.2° |
| C9 | C8 | C7 | H7 | 175.2° | 179.9° |
| C8 | C9 | C4 | C5 | 1.3° | 0.1° |
| C8 | C9 | C4 | N3 | 179.6° | 180.0° |
| C8 | C9 | C4 | H4 | 179.5° | 180.0° |
| C8 | C9 | N3 | C2 | 1.6° | 0.0° |
| C7 | C6 | C11 | C5 | 179.6° | 179.5° |
| C7 | C6 | C11 | H111 | 15.9° | 90.0° |
| C7 | C6 | C11 | H112 | 137.9° | 150.0° |
| C7 | C6 | C11 | H113 | 102.8° | 30.0° |
| C7 | C6 | C5 | C10 | 179.9° | 179.8° |
| C7 | C6 | C5 | C4 | 0.1° | 0.6° |
| H7 | C7 | C6 | C11 | 3.8° | 0.2° |
| H7 | C7 | C6 | C5 | 175.8° | 179.7° |
| C6 | C11 | H111 | H112 | 124.0° | 120.0° |
| C6 | C11 | H111 | H113 | 118.0° | 119.9° |
| C6 | C11 | H112 | H113 | 118.4° | 120.0° |
| C11 | C6 | C5 | C10 | 0.5° | 0.3° |
| C11 | C6 | C5 | C4 | 179.5° | 179.9° |
| C5 | C6 | C11 | H111 | 163.7° | 90.5° |
| C5 | C6 | C11 | H112 | 41.7° | 29.5° |
| C5 | C6 | C11 | H113 | 77.6° | 149.5° |
| C6 | C5 | C10 | C4 | 180.0° | 179.6° |
| C6 | C5 | C10 | H101 | 78.7° | 90.4° |
| C6 | C5 | C10 | H102 | 43.1° | 29.7° |
| C6 | C5 | C10 | H103 | 165.0° | 149.7° |
| C6 | C5 | C4 | C9 | 2.0° | 0.4° |
| C6 | C5 | C4 | H4 | 178.9° | 179.7° |
| H111 | C11 | H112 | H113 | 117.8° | 120.1° |
| C5 | C10 | H101 | H102 | 124.4° | 120.1° |
| C5 | C10 | H101 | H103 | 120.3° | 119.9° |
| C5 | C10 | H102 | H103 | 123.7° | 119.9° |
| C10 | C5 | C4 | C9 | 178.0° | 180.0° |
| C10 | C5 | C4 | H4 | 1.1° | 0.1° |
| H101 | C10 | H102 | H103 | 113.1° | 120.0° |
| H101 | C10 | C5 | C4 | 101.3° | 90.0° |
| H102 | C10 | C5 | C4 | 136.9° | 149.9° |
| H103 | C10 | C5 | C4 | 15.0° | 30.0° |
| C5 | C4 | C9 | H4 | 179.1° | 179.9° |
| C5 | C4 | C9 | N3 | 178.2° | 180.0° |
| C4 | C9 | N3 | C2 | 178.0° | 180.0° |
| H4 | C4 | C9 | N3 | 0.9° | 0.0° |
| C9 | N3 | C2 | H2 | 177.9° | 179.9° |
| O2' | C2' | C3' | H2' | 118.4° | 123.3° |
| O2' | C2' | C3' | H3' | 121.5° | 157.8° |
| C3' | C2' | O2' | HO21 | 177.1° | 180.0° |
| H2' | C2' | O2' | HO21 | 57.7° | 56.6° |
| H2' | C2' | C3' | H3' | 3.1° | 34.5° |
